Related papers: Restoring the Pauli principle in the random phase …
Analysis of quantum error correcting codes is typically done using a stochastic, Pauli channel error model for describing the noise on physical qubits. However, it was recently found that coherent errors (systematic rotations) on physical…
Anapole states associated with the resonant suppression of electric-dipole scattering exhibit minimized extinction and maximized storage of electromagnetic energy inside a particle. Using numerical simulations, optical extinction…
Fermionic natural occupation numbers (NON) do not only obey Pauli's famous exclusion principle but are even further restricted to a polytope by the generalized Pauli constraints, conditions which follow from the fermionic exchange…
We present unrestricted Hartree Fock method coupled with configuration interaction (CI) method (URHF-CI) suitable for the calculation of ground and excited states of large number of electrons localized by complex gate potentials in…
Range-separated methods combining a short-range density functional with long-range random phase approximations RPAs with or without exchange response kernel are tested on rare-gas dimers and the S22 benchmark set of weakly interacting…
Self-Consistent RPA is rederived in a consistent way with the help of the Coupled Cluster ground state wave function truncated at the two body level. An exact killing operator for this wave function is introduced allowing for a detailed…
The method of description of the high-spin states, which was previously developed and applied for the states of this type in $^{208}$Pb, is generalized for the case of the states having more complex multiphonon structure. In this method,…
We develop and implement a formalism which enables calculating the analytical gradients of particle-hole random-phase approximation (RPA) ground-state energy with respect to the atomic positions within the atomic orbital basis set…
We prove the phase segregation phenomenon to occur in the ground state solutions of an interacting system of two self-coupled repulsive Hartree equations for large nonlinear and nonlocal interactions. A self-consistent numerical…
The two-dimensional Hubbard model is analyzed in the framework of the two-pole expansion. It is demonstrated that several theoretical approaches, when considered at their lowest level, are all equivalent and share the property of satisfying…
Using the nonrelativistic approximation in the curved-space Dirac equation, the analog of the Pauli equation is derived for a weak gravitational field with a gauge fixing condition related to the synchronous gauge, in the presence of an…
We study an extended Lipkin-Meshkov-Glick model that permits a transition to a deformed phase with a broken continuous symmetry. Unlike simpler models, one sees a persistent zero-frequency Goldstone mode past the transition point into the…
Beyond ground state energy estimation, quantum phase estimation (QPE) applied to many-electron systems has the potential to output an approximation of the ground state, enabling in a second step an evaluation of observables other than the…
The Faddeev Random Phase Approximation is a Green's function technique that makes use of Faddeev-equations to couple the motion of a single electron to the two-particle--one-hole and two-hole--one-particle excitations. This method goes…
We study the spectra of the molecular orbital Hessian (stability matrix) and random-phase approximation Hamiltonian of broken-symmetry Hartree-Fock solutions, focusing on zero eigenvalue modes. After all negative eigenvalues are removed…
Arguably the most widely used approaches for obtaining highly accurate molecular ground-state energies are coupled cluster methods. Despite introducing two layers of approximation, a linear and a nonlinear one, coupled cluster methods…
The process of reconstructing quantum states from experimental measurements, accomplished through quantum state tomography (QST), plays a crucial role in verifying and benchmarking quantum devices. A key challenge of QST is to find out how…
We present a real-space method for computing the random phase approximation (RPA) correlation energy within Kohn-Sham density functional theory, leveraging the low-rank nature of the frequency-dependent density response operator. In…
Mixing single and triple fermions an exact killing operator of the Coupled Cluster Doubles (CCD) wave function with good symmetry was found in \cite{Tohy13}. Using these operators with the equation of motion (EOM) method the so-called…
The parameter $W_\mathrm{a}$, which characterizes nuclear spin-dependent parity violation effects within the effective molecular spin-rotational Hamiltonian, was computed for the electronic ground state of radium fluoride (RaF) and found to…